Crystallography Open Database

Information card for entry 7247657

Preview

Coordinates	7247657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H40 N10
Calculated formula	C50 H40 N10
SMILES	N#CC(=C1C=C(c2c1cccc2)[C-](C#N)C#N)C#N.[n+]1(ccc(cc1)c1cc[n+](cc1)CCCCC)CCCCC.N#C[C-](C1=CC(=C(C#N)C#N)c2c1cccc2)C#N
Title of publication	Formation of charge-transfer complexes in ionic crystals composed of 1,3-bis(dicyanomethylidene)indan anion and viologens bearing alkyl chains
Authors of publication	Saito, Erika; Yamakado, Ryohei; Yasuhara, Taichi; Yamaguchi, Hiroto; Okada, Shuji; Yoshida, Tsukasa
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	45
Pages of publication	32039 - 32044
a	11.2406 ± 0.0002 Å
b	13.752 ± 0.0003 Å
c	14.5481 ± 0.0003 Å
α	68.229 ± 0.002°
β	75.915 ± 0.002°
γ	85.545 ± 0.002°
Cell volume	2025.47 ± 0.08 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0838
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1632
Weighted residual factors for all reflections included in the refinement	0.1921
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287241 (current)	2023-11-02	cif/ Adding structures of 7247653, 7247654, 7247655, 7247656, 7247657, 7247658, 7247659 via cif-deposit CGI script.	7247657.cif